Basic information
- CAS
233595-51-2- Standard SMILES
CCCCC#CC12CCCCC1O2- InChIKey
PGFKQWUAGZKRAO-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- 7-Oxabicyclo[4.1.0]heptane, 1-(1-hexynyl)-
- IUPAC
- 1-hex-1-ynyl-7-oxabicyclo[4.1.0]heptane
Names & synonyms
233595-51-27-Oxabicyclo[4.1.0]heptane, 1-(1-hexynyl)-1-(HEX-1-YN-1-YL)-7-OXABICYCLO[4.1.0]HEPTANEDTXSID20440681
Database identifiers
- CAS
233595-51-2- PubChem CID
- 10487565
- DTXSID
DTXSID20440681- Nikkaji
- J1.107.382D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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